| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:23 UTC |
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| Update Date | 2025-03-21 17:57:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00009384 |
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| Frequency | 514.4 |
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| Structure | |
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| Chemical Formula | C10H12N2O |
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| Molecular Mass | 176.095 |
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| SMILES | CN1C(=O)CCC1c1ccccn1 |
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| InChI Key | MCWXBYVNZTVRNA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | methylpyridines |
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| Direct Parent | methylpyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-onestertiary carboxylic acid amides |
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| Substituents | 2-pyrrolidonecarbonyl grouplactamaromatic heteromonocyclic compoundazacyclen-alkylpyrrolidineheteroaromatic compoundmethylpyridinecarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundpyrrolidinepyrrolidoneorganooxygen compound |
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